4-methyl-N-[4-[methyl-(4-methylphenyl)sulfonylamino]phenyl]benzenesulfonamide

C21H22N2O4S2 — CID 2802106

IUPAC4-methyl-N-[4-[methyl-(4-methylphenyl)sulfonylamino]phenyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(N(C)S(=O)(=O)c3ccc(C)cc3)cc2)cc1
InChIInChI=1S/C21H22N2O4S2/c1-16-4-12-20(13-5-16)28(24,25)22-18-8-10-19(11-9-18)23(3)29(26,27)21-14-6-17(2)7-15-21/h4-15,22H,1-3H3
InChIKeyIYVXATCNUYFLKC-UHFFFAOYSA-N
MW430.55 g/mol
LogP3.93
Rot. Bonds6

About 4-methyl-N-[4-[methyl-(4-methylphenyl)sulfonylamino]phenyl]benzenesulfonamide

4-methyl-N-[4-[methyl-(4-methylphenyl)sulfonylamino]phenyl]benzenesulfonamide (PubChem CID 2802106) has the molecular formula C21H22N2O4S2 and a molecular weight of 430.55 g/mol. Its IUPAC name is 4-methyl-N-[4-[methyl-(4-methylphenyl)sulfonylamino]phenyl]benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-[4-[methyl-(4-methylphenyl)sulfonylamino]phenyl]benzenesulfonamide
PubChem CID2802106
Molecular FormulaC21H22N2O4S2
Molecular Weight430.55 g/mol
Exact Mass430.10
IUPAC Name4-methyl-N-[4-[methyl-(4-methylphenyl)sulfonylamino]phenyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(N(C)S(=O)(=O)c3ccc(C)cc3)cc2)cc1
InChIInChI=1S/C21H22N2O4S2/c1-16-4-12-20(13-5-16)28(24,25)22-18-8-10-19(11-9-18)23(3)29(26,27)21-14-6-17(2)7-15-21/h4-15,22H,1-3H3
InChIKeyIYVXATCNUYFLKC-UHFFFAOYSA-N
XLogP3.93
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.55
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[4-[methyl-(4-methylphenyl)sulfonylamino]phenyl]benzenesulfonamide?
The IUPAC name of 4-methyl-N-[4-[methyl-(4-methylphenyl)sulfonylamino]phenyl]benzenesulfonamide (CID 2802106) is 4-methyl-N-[4-[methyl-(4-methylphenyl)sulfonylamino]phenyl]benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-[4-[methyl-(4-methylphenyl)sulfonylamino]phenyl]benzenesulfonamide?
The canonical SMILES for 4-methyl-N-[4-[methyl-(4-methylphenyl)sulfonylamino]phenyl]benzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2ccc(N(C)S(=O)(=O)c3ccc(C)cc3)cc2)cc1.
What is the InChIKey of 4-methyl-N-[4-[methyl-(4-methylphenyl)sulfonylamino]phenyl]benzenesulfonamide?
The InChIKey is IYVXATCNUYFLKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O4S2/c1-16-4-12-20(13-5-16)28(24,25)22-18-8-10-19(11-9-18)23(3)29(26,27)21-14-6-17(2)7-15-21/h4-15,22H,1-3H3.
What are the key properties of 4-methyl-N-[4-[methyl-(4-methylphenyl)sulfonylamino]phenyl]benzenesulfonamide?
4-methyl-N-[4-[methyl-(4-methylphenyl)sulfonylamino]phenyl]benzenesulfonamide has a molecular weight of 430.55 g/mol, XLogP of 3.93, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[4-[methyl-(4-methylphenyl)sulfonylamino]phenyl]benzenesulfonamide is sourced from PubChem (CID 2802106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).